REMARK  Name = BDB016242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.748  -1.399   1.301  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1        4.921  -0.592   0.302  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1        3.681  -0.309   0.947  0.00  0.00    -0.487 OA
ATOM      4  C   LIG    1        2.652   0.061   0.130  0.00  0.00    +0.145 A 
ATOM      5  C   LIG    1        2.727   0.702  -1.111  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        1.528   0.953  -1.802  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        0.282   0.609  -1.264  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        0.211   0.006  -0.016  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1        3.888   1.156  -1.762  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1        3.770   1.571  -2.679  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1        5.189   1.199  -1.373  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1        6.016   1.688  -2.147  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        1.396  -0.260   0.671  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        5.605   0.719  -0.017  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   8  15
ATOM     15  O   LIG    1       -0.929  -0.375   0.634  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.172  -0.111  -0.020  0.00  0.00    +0.233 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.298  -0.604   0.889  0.00  0.00    +0.076 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.656  -0.370   0.281  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1       -5.338   0.834   0.507  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -6.586   1.059  -0.075  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -7.162   0.087  -0.891  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.490  -1.112  -1.125  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.242  -1.339  -0.544  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 4